CAS No.1072-83-9,2-Acetyl pyrrole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1072-83-9
Name:	2-Acetyl pyrrole
Article Data:	96

Formula:	C₆H₇NO
Molecular Weight:	109.128
Synonyms:	Ketone,methyl 2-pyrryl (4CI);Ketone, methyl pyrrol-2-yl (6CI,7CI,8CI);(2-Pyrrolyl)ethanone;1-(1H-Pyrrol-2-yl)ethanone;1-(2-Pyrrolyl)-1-ethanone;2-Acetyl-1H-indole;2-Acetyl-1H-pyrrole;2-Acetylpyrrole;2-Pyrrolyl methylketone;Methyl pyrrol-2-yl ketone;NSC 42861;2- acetyl pyrrole;
EINECS:	214-016-2
Density:	1.099 g/cm³
Melting Point:	88-93 °C
Boiling Point:	220.9 °C at 760 mmHg
Flash Point:	92.4 °C
Solubility:	Soluble in hot water (Soluble in alcohol)
Appearance:	white to beige crystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	22-37/38-36/37/38
Safety:	37/39-26-24/25-36
PSA:	32.86000
LogP:	1.21730

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Chemistry

Molecular Structure of 2-Acetylpyrrole (CAS NO.1072-83-9):

IUPAC Name: 1-(1H-Pyrrol-2-yl)ethanone
Molecular Formula: C₆H₇NO
Molecular Weight: 109.13
XLogP3: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 1
EINECS: 214-016-2
Index of Refraction: 1.53
Molar Refractivity: 30.71 cm³
Molar Volume: 99.2 cm³
Surface Tension: 41.5 dyne/cm
Density: 1.099 g/cm³
Flash Point: 92.4 °C
Enthalpy of Vaporization: 45.74 kJ/mol
Boiling Point: 220.9 °C at 760 mmHg
Vapour Pressure: 0.11 mmHg at 25 °C
Melting Point: 88-93 °C(lit.)
Water Solubility: 1.76E+04 mg/L at 25 °C
Classification Code: Mutation data
Canonical SMILES: CC(=O)C1=CC=CN1
InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
Appearance: white to beige crystalline powder
Product Categories: Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; API intermediates; Benzenes;Flavor

Uses

2-Acetylpyrrole (CAS NO.1072-83-9) is used as an ingredient in fragrance.

Safety Profile

Safety Information of 2-Acetylpyrrole (CAS NO.1072-83-9):
Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 22-37/38-36/37/38
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-24/25-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: OB5970000
Hazard Note: Harmful
When heated to decomposition emits toxic fumes of NO_x.

Specification

2-Acetylpyrrole (CAS NO.1072-83-9), its Synonyms are 1-(1H-Pyrrol-2-yl)ethanone ; 1-(2-Pyrrolyl)-1-ethanone ; 2-Acetyl-1H-pyrrole ; 2-Pyrrolyl methyl ketone ; 2-Pyrrolylethanone ; Ethanone, 1-(1H-pyrrol-2-yl)- ; Ketone, methyl pyrrol-2-yl ; Methyl pyrrol-2-yl ketone .